Heptane

Heptane

SCHEMBL1591796

CCCCCCC.CCOC(C)=O.ClCCl

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
LMNA P02545 1/20 0.64
HSD17B10 Q99714 1/20 0.64
FAAH O00519 4/20 0.48
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 4/20 0.44
NAAA Q02083 1/20 0.43
DGKA P23743 1/20 0.43
CES2 O00748 4/20 0.42
CES1 P23141 3/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hexane SCHEMBL6948482 0.98 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10FAAHMEN1
Hexane SCHEMBL6948245 0.98 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10FAAHMEN1
Hexane SCHEMBL260348 0.98 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL2706852 0.96 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10FAAHMEN1
Hexane SCHEMBL7315287 0.95 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10FAAHMEN1
Hexane SCHEMBL3003669 0.95 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10FAAHMEN1
Hexane SCHEMBL6415173 0.95 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10FAAHMEN1
Ethyl Acetate SCHEMBL6986234 0.93 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL9865847 0.93 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL11904142 0.93 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109761826-B O-desmethylvenlafaxine phenyl ether compound and preparation method and application thereof 烟台大学 2022-02-25 CN claimed
CN-109761826-A A kind of O-DMV phenylate compound and its preparation method and application 烟台大学 2019-05-17 CN claimed
EP-4245369-A2 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF Sage Therapeutics, Inc. (US) 2023-09-20 EP disclosed
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF Sage Therapeutics, LLC 2023-06-22 US disclosed
EP-2753632-B1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS INC (US) 2023-05-10 EP disclosed
US-11345682-B2 Polymorph of HDAC6-selective inhibitor and application thereof CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2022-05-31 US disclosed
CN-109761826-B O-desmethylvenlafaxine phenyl ether compound and preparation method and application thereof 烟台大学 2022-02-25 CN disclosed
EP-3865135-A2 NEUROACTIVE STEROIDS FOR USE IN THERAPY Sage Therapeutics, Inc. (US) 2021-08-18 EP disclosed
US-20210147394-A1 POLYMORPH OF HDAC6-SELECTIVE INHIBITOR AND APPLICATION THEREOF CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2021-05-20 US disclosed
US-20210147470-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2021-05-20 US disclosed
US-10759828-B2 Neuroactive steroids, compositions, and uses thereof SAGE THERAPEUTICS, INC. (US) 2020-09-01 US disclosed
EP-0684514-A1 Tight-wrapped photographic element containing a high dye-yield coupler EASTMAN KODAK COMPANY (US) 1995-11-29 EP disclosed
EP-0684516-A1 Photographic element containing a high dye-yield coupler with a methine dye chromophore EASTMAN KODAK COMPANY (US) 1995-11-29 EP disclosed
EP-0684517-A1 Photographic element with silver halide emulsion layer of low developability and having an associated high dye-yield coupler EASTMAN KODAK COMPANY (US) 1995-11-29 EP disclosed
US-5470688-A Heat development of elements containing methine-dye releasing couplers EASTMAN KODAK COMPANY (US) 1995-11-28 US disclosed
US-5457004-A Exposure the element, comprising a substrate and a photographic silver halide emulsion layer associated with high yield coupler, with oxidized color developer forming an image EASTMAN KODAK COMPANY (US) 1995-10-10 US disclosed
US-5455140-A Image quality, preferred hues EASTMAN KODAK COMPANY (US) 1995-10-03 US disclosed
US-5447819-A Photographic element containing high dye-yield couplers having improved reactivity EASTMAN KODAK COMPANY (US) 1995-09-05 US disclosed
US-5246820-A Precursor which hydrolyzes than decomposes to carbon dioxide and non-diffusable amine EASTMAN KODAK COMPANY 1993-09-21 US disclosed
EP-0560424-A1 Carbamic acid solubilized smearing couplers EASTMAN KODAK COMPANY (US) 1993-09-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11345682-B2 Polymorph of HDAC6-selective inhibitor and application thereof HDAC6, HDAC1, HDAC3 ALDH1A1 317/4885LMNA 2498/4885HSD17B10 377/4885
US-20210147470-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R ALDH1A1 1088/4885LMNA 2320/4885HSD17B10 923/4885
US-10759828-B2 Neuroactive steroids, compositions, and uses thereof CHRNB4, CHRNB3, MC2R ALDH1A1 1088/4885LMNA 2320/4885HSD17B10 923/4885
US-20210147394-A1 POLYMORPH OF HDAC6-SELECTIVE INHIBITOR AND APPLICATION THEREOF HDAC6, HDAC1, HDAC3 ALDH1A1 317/4885LMNA 2498/4885HSD17B10 377/4885
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R ALDH1A1 1160/4885LMNA 2338/4885HSD17B10 970/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.